%chk=000114821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114821

0 1
 S   0.6468000       2.313400     -0.1820000    
 O   0.3322000       3.512800      0.5853000    
 O   0.9821000       2.450900      -1.594100    
 O    2.435000      -1.622200     -0.9569000    
 O   -4.234000      -2.375500     -0.6162000    
 N    1.912600       1.474600      0.6320000    
 N    2.108200     -0.2726000      -1.011100    
 N   -3.952200      -1.421100      0.3281000    
 C  -0.7034000       1.216700     -3.2299999E-02
 C   -1.558600       1.309300       1.065900    
 C  -0.9271000      0.2478000      -1.010600    
 C    2.182900      0.1162000      0.2444000    
 C   -2.860800     -0.5356000      0.2077000    
 C   -2.637200      0.4331000       1.185800    
 C   -2.005800     -0.6283000     -0.8905000    
 C    2.537600     -0.8773000       1.142200    
 C    2.688600      -1.970400      0.3305000    
 C    3.053000      -3.371800      0.5718000    
 H    2.054800       1.698100       1.625600    
 H   -1.399700       2.050900       1.843700    
 H  -0.2999000      0.1724000      -1.893300    
 H   -3.295600      0.5141000       2.047000    
 H   -2.162100      -1.369600      -1.669600    
 H    2.668300     -0.8303000       2.213100    
 H    3.239600      -3.554200       1.634700    
 H    2.248000      -4.039600      0.2498000    
 H    3.960000      -3.634400      1.8700000E-02
 H   -4.580100      -1.353900       1.119100    
 H   -4.124700      -3.197300     -0.1083000    


%chk=000114821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114821

0 1
S 0.552018 1.638464 0.137979
O 0.517652 3.041696 0.963746
O 1.231002 1.526736 -1.331609
O 2.588491 -2.490422 -0.234996
O -5.425294 -1.478287 -1.070033
N 1.498831 0.499701 1.384770
N 1.559924 -1.493963 0.068256
N -5.052796 -0.640764 0.069072
C -1.161647 0.916785 0.097297
C -2.142663 1.530527 0.897970
C -1.421110 -0.181075 -0.741575
C 2.200829 -0.596235 0.873942
C -3.748937 -0.100210 0.018472
C -3.450226 1.019023 0.850348
C -2.731706 -0.691095 -0.780477
C 3.577172 -0.966164 1.124946
C 3.774515 -2.146975 0.434742
C 4.934362 -3.070462 0.249251
H 2.046593 1.155127 1.964373
H -1.887287 2.393135 1.521237
H -0.621024 -0.630609 -1.336759
H -4.235228 1.478095 1.462184
H -2.979326 -1.529115 -1.435252
H 4.302694 -0.425223 1.727087
H 5.811888 -2.695712 0.799489
H 4.696853 -4.084783 0.617317
H 5.201911 -3.157532 -0.818997
H -5.816824 0.023732 0.244919
H -5.512168 -2.388192 -0.677200


